N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

C16H23N3O3 — CID 119778200

IUPACN-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCNCC(C)C(=O)Nc1ccc(OC)cc1C(=O)NC1CC1
InChIInChI=1S/C16H23N3O3/c1-10(9-17-2)15(20)19-14-7-6-12(22-3)8-13(14)16(21)18-11-4-5-11/h6-8,10-11,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyZNFKZGVXHIASOQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.38
Rot. Bonds7

About N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (PubChem CID 119778200) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
PubChem CID119778200
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCNCC(C)C(=O)Nc1ccc(OC)cc1C(=O)NC1CC1
InChIInChI=1S/C16H23N3O3/c1-10(9-17-2)15(20)19-14-7-6-12(22-3)8-13(14)16(21)18-11-4-5-11/h6-8,10-11,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyZNFKZGVXHIASOQ-UHFFFAOYSA-N
XLogP1.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (CID 119778200) is N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is CNCC(C)C(=O)Nc1ccc(OC)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The InChIKey is ZNFKZGVXHIASOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(9-17-2)15(20)19-14-7-6-12(22-3)8-13(14)16(21)18-11-4-5-11/h6-8,10-11,17H,4-5,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide has a molecular weight of 305.38 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is sourced from PubChem (CID 119778200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).